Phenylethyl Isovalerate 异戊酸苯乙酯

CAS 140-26-1 MFCD00044322

化学结构图

140-26-1
SMILES: CC(C)CC(=O)OCCc1ccccc1

化学属性

Mol. FormulaC13H18O2
Mol. Weight206
Refractive index1.4830 to 1.4870
Boiling Point268
Density0.974 g/mL at 25 °C(lit.)
Flash Point100°C(lit.)
Appearance 无色至微黄色液体。呈菊花、水果香甜味和玫瑰香气。沸点263℃,闪点>100℃。混溶于乙醇和大多数非挥发性油,不溶于水。 天然品存在于薄荷油、留兰香油、啤酒、葡萄、白兰地、苹果酒等中。

别名和识别编码

Chemical NamePhenylethyl Isovalerate
Synonym 2-Phenylethylisovalerat 3-Methylbuttersäurephenylethylester 3-甲基丁酸-2-苯乙酯 B-PHENYLETHYL ISOVALERATE BETA-PHENYLETHYL ISOVALERATE Benzyl carbinyl isovalerianate Phenethyl isopentanoate Benzyl carbinyl isovalerianate, Phenethyl isopentanoate FEMA 2871 Isovaleriansäure-phenylethylester Isovaleric acid, phenethyl ester Phenethyl isopentanoate Phenyl ethyl 3-methyl-butanoate isovalericacid,phenethylester {} {} {uni_hamburg} 异戊酸苯乙酯
MDL NumberMFCD00044322
CAS Number140-26-1
PubChem Substance ID8792
EC Number205-406-3
Beilstein Registry Number2504902
Chemical Name Translation异戊酸苯乙酯
Reaxys-RN2504902
Wiswesser Line Notation1Y1&1VO2R
LabNetwork Molecule IDLN00227137
InChIInChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certifie

相关文献及参考

  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, Gloves
RTECSNY1511500
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6220 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6220 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,961,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 6220 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

其他信息

  • Acros Organics:异戊酸苯乙酯 Phenylethyl isovalerate, 99%(140-26-1)
  • FEMA:2871
  • 方法一:由苯乙醇和异戊酸直接酯化而成。
  • 毒性:GRAS(FEMA)。 LD50 6220mg/kg(大鼠,经口)。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 异戊酸苯乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 用途一:GB 2760--1996规定为暂时允许使用的食用香料。主要用以配制苹果、樱桃、蜂蜜、糖蜜、菠萝、梨、杏、桃、热带水果和什锦水果等型香精。
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为1.5g。计算中的当量因子(e)取103.2。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 参考质量标准:FCC,1997 含量(一种主要异构体) ≥98.0% 折射率(n D 20 ) 1,484~1,486 相对密度(d 25 25 ) 0.973~0.976 酸值(OT-4) ≤1.0 醇中溶解度 lmI溶于3mL 80%乙醇,澄明
  • 异戊酸苯乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 264602500 异戊酸苯乙酯 Phenylethyl isovalerate 99% 250 ML 1538元
  • 用途二:可用于果香、花香、膏香、东方香型等香型配方,用入菊花型最宜,可微量与苯乙醇共用于玫瑰,少量用入桂花、紫罗兰等香型有使香气增甜醇厚而多韵的作用,用于香薇型、松针型、森林清香型可提供一种花香底蕴。可少量用入食用香精,它也是配制烟用香精的重要香料。
  • 上游原料:苯乙醇
  • Sigma Aldrich:140-26-1(sigmaaldrich)
  • MOL 文件:140-26-1.mol
  • 使用限量:FEMA(mg/kg):软饮料1.3;冷饮2.5;糖果5.9;焙烤食品6.1;胶姆糖0.80~45。 适度为限(FDA§172.515,2000)。

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